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Synthesis of Functionalized PDMS Fluids by Linear Chlorinated Phosphazene Acid Catalyst 线性氯化磷腈酸催化剂合成功能化PDMS流体
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-14 DOI: 10.1007/s12633-024-03182-7
Chen Jin, Yang Zhang, Hao Yang, Hong Dong, Yanjiang Song, Zhirong Qu, Chuan Wu

In order to overcome the deficiency that chlorinated phosphazene base cannot prepare low-viscosity polysiloxanes, especially low-viscosity polysiloxane fluids containing Si–H bonds, linear chlorinated phosphazene acid was prepared using PCl5 and NH4Cl, and its application in the preparation of linear polysiloxanes by condensation reaction and equilibrium polymerization reaction was studied. The effects of the dosage of the catalyst, reaction time, passivator type (MgO, NaHCO3, Fe2O3, MnO2, CaO, ZnO), and its dosage on the structure and yield of the PDMS oligomers were investigated. NMR, GPC, refractometer, and TGA were used to test the structure and properties of the PDMS oligomer. Compared with commercial PDMS fluid, the PDMS fluid prepared with ZnO as a passivator has better thermal properties. When hydroxyl-terminated linear PDMS with low polymerization degree is used, with the addition of 5 ppm of catalyst and NaHCO3 as a passivator, α, ω-bistrimethylsiloxy-terminated linear PDMS was obtained by means of the condensation reaction with a yield of 91.1%. Using octamethylcyclotetrasiloxane as the monomer, with the addition of 1000 ppm of catalyst and triethylamine as a passivator, various functionalized PDMSs were obtained with yields ranging from 73.7% to 80.4%. Compared with the equilibrium polymerization reaction, the molecular weight distribution of the PDMS prepared by the hydroxyl condensation reaction is narrower. This work provides a new approach to the synthesis of low-viscosity polysiloxanes, especially those terminated with active functional groups.

Graphical Abstract

为克服氯化磷腈碱不能制备低粘度聚硅氧烷,特别是不能制备含Si-H键的低粘度聚硅氧烷流体的不足,以PCl5和NH4Cl为原料制备了线性氯化磷腈酸,并通过缩合反应和平衡聚合反应研究了其在线性聚硅氧烷制备中的应用。考察了催化剂用量、反应时间、钝化剂类型(MgO、NaHCO3、Fe2O3、MnO2、CaO、ZnO)及其用量对PDMS低聚物结构和产率的影响。采用NMR、GPC、折光计和TGA等方法对聚PDMS低聚物的结构和性能进行了表征。与商用PDMS流体相比,以ZnO为钝化剂制备的PDMS流体具有更好的热性能。当采用低聚合度的端羟基直线型PDMS时,加入5 ppm的催化剂和NaHCO3作为钝化剂,通过缩合反应得到α, ω-双三甲基硅氧基端线性PDMS,收率为91.1%。以八甲基环四硅氧烷为单体,催化剂用量为1000ppm,三乙胺为钝化剂,可制得多种功能化pmms,收率为73.7% ~ 80.4%。与平衡聚合反应相比,羟基缩合反应制备的PDMS分子量分布更窄。这项工作为低粘度聚硅氧烷的合成提供了一条新的途径,特别是末端带有活性官能团的聚硅氧烷。图形抽象
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引用次数: 0
Investigation of Thermal Aging Behaviour on Silane Treated White Fumed Silica/Glass Fiber Reinforced Vinyl Ester Composite 硅烷处理白气相二氧化硅/玻璃纤维增强乙烯基酯复合材料热老化性能研究
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1007/s12633-024-03185-4
K. Shunmugapriya, M. Vetrivel Sezhian,  Prabagaran S, Kavitha C

In this study, an investigation has been performed on the glass fiber-vinyl ester composites with varying contents of silane treated white fumed silica at different thermal aging conditions. The main objective of this research work is to explicate the effectiveness of silane treated functional fumed silica on commercially used glass fibre-vinyl ester composite at elevated temperature aging conditions. The fumed silica was treated with 3-Aminopropyltrimethoxysilane (APTMS) and the composites were made by a hand layup principle. The composites were further subjected to temperature aging such as 50 & 60 °C @ 180 days and tested for their mechanical, flammability, and water absorption properties. The results indicate that, despite thermal aging the mechanical properties of the composites is stable, revealing the enhanced silane protection effect on glass fiber and fumed silica. Composite GST21, GST22, and GST23, subjected to thermal aging at 60 °C for 180 days, the tensile and flexural strengths experienced reductions compared to the un-aged specimens. However, the decrease in values is minimal, indicating the resilience of the composites even under harsh aging conditions. Flammability tests revealed consistent UL 94 ratings for all specimens, even after thermal aging. Water absorption percentages marginally increased after thermal aging, particularly at higher temperatures, yet remained within acceptable limits. SEM analysis provided visual evidence of the composite's microstructure, highlighting areas of voids, crack formations and low fiber pull-out. Despite some indications of degradation, the overall integrity of the composites remained sound, emphasizing the effectiveness of silane treatment on glass fiber and fumed silica in maintaining structural stability.In summary, while some minor losses in mechanical and physical properties were observed in the thermally aged specimens, the silane treated glass fiber and fumed silica mitigated these effects, ensuring that the composites retained their essential characteristics. Overall, the study underscores the importance of silane barrier protection on the reinforcement materials in enhancing the durability and performance of composite materials, even under challenging conditions.

本文研究了不同硅烷含量的玻璃纤维-乙烯基酯复合材料在不同热老化条件下的性能。本研究工作的主要目的是阐明硅烷处理的功能气相二氧化硅在高温老化条件下对商用玻璃纤维-乙烯基酯复合材料的有效性。用3-氨基丙基三甲氧基硅烷(APTMS)对气相二氧化硅进行处理,采用手铺法制备了复合材料。进一步对复合材料进行50 &;60°C @ 180天,并测试其机械、可燃性和吸水性能。结果表明,尽管热老化,复合材料的力学性能稳定,表明硅烷对玻璃纤维和气相二氧化硅的保护作用增强。复合材料GST21、GST22和GST23经60℃高温时效180 d后,抗拉强度和抗弯强度均较未时效试样有所降低。然而,数值的下降是最小的,表明复合材料的弹性,即使在恶劣的老化条件下。可燃性测试显示,即使经过热老化,所有样品的UL 94评级也一致。热老化后的吸水率略有增加,特别是在较高温度下,但仍在可接受的范围内。扫描电镜分析提供了复合材料微观结构的视觉证据,突出了空洞、裂纹形成和低纤维拔出的区域。尽管有一些退化的迹象,但复合材料的整体完整性仍然良好,强调了硅烷处理对玻璃纤维和气相二氧化硅在保持结构稳定性方面的有效性。综上所述,虽然在热老化样品中观察到一些轻微的机械和物理性能损失,但硅烷处理的玻璃纤维和气相二氧化硅减轻了这些影响,确保复合材料保留了其基本特性。总的来说,该研究强调了硅烷屏障保护在增强材料上的重要性,即使在具有挑战性的条件下,也可以提高复合材料的耐久性和性能。
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引用次数: 0
Preparation and High-temperature Oxidation Properties of Cf/mullite Composites Cf/莫来石复合材料的制备及其高温氧化性能
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-13 DOI: 10.1007/s12633-024-03195-2
Bangxiao Mao, Xisheng Xia, Dakui Wang, Guangren Yang, Hengzheng Li, Guosheng Gao

Developing materials that possess both excellent electromagnetic wave absorption performance and good mechanical properties is crucial for meeting the demands of the military environment. In this study, the carbon fiber reinforced mullite (Cf/mullite) composites were prepared using T300 carbon fiber as the starting material, along with a mixture of alumina sol and silica sol. The Cf/mullite composites exhibited good electromagnetic wave absorption performance under temperature treatment conditions of 700℃ and had a lower dielectric constant, which achieved a minimum reflection loss of -14.28 dB at 1.90 mm, corresponding to a frequency of 17.12 GHz. Additionally, it demonstrated a maximum effective absorption bandwidth of 3.61 GHz at a thickness of 2.10 mm. To meet the mechanical performance requirements under high-temperature conditions, the composites attained a maximum compressive strength of 292.19 MPa under treatment conditions of 500℃. This study provides insights into material selection for future aircraft, particularly in high-temperature and radar detection environments.

开发既具有优异的电磁波吸收性能又具有良好力学性能的材料对于满足军事环境的要求至关重要。本研究以T300碳纤维为起始材料,与氧化铝溶胶和硅溶胶混合制备碳纤维增强莫来石(Cf/莫来石)复合材料,在700℃的温度处理条件下,Cf/莫来石复合材料具有良好的电磁波吸收性能,并且具有较低的介电常数,在1.90 mm处,对应17.12 GHz的频率,反射损耗最小,为-14.28 dB。此外,在厚度为2.10 mm时,其最大有效吸收带宽为3.61 GHz。为满足高温条件下的力学性能要求,复合材料在500℃处理条件下的最大抗压强度达到292.19 MPa。这项研究为未来飞机的材料选择提供了见解,特别是在高温和雷达探测环境中。
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引用次数: 0
Preparation of High-performance BaTiO3 Nanoparticles-embedded Porous Silicon Photodetectors by Electrochemical Etching and Laser Ablation in Liquid 电化学蚀刻和激光烧蚀制备高性能纳米BaTiO3嵌入多孔硅光电探测器
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1007/s12633-024-03194-3
Raid A. Ismail, Sinai A. Huseen, Taka D. Abass, Suaad S. Salim, Alwan M. Alwan

In this work, BaTiO3 nanoparticles synthesized by laser ablation were embedded in p-type and n-type porous silicon (PSi), which were prepared using an electrochemical etching method. Structural analysis confirmed that the synthesized BaTiO3 nanoparticles are crystalline with a tetragonal structure. The direct optical energy gap of the BaTiO3 nanoparticles was found to be 3.75 eV at room temperature. Scanning electron microscopy revealed that the synthesized BaTiO3 nanoparticles have a spherical morphology with an average particle size of 34 nm. The optoelectronic properties of BaTiO3-embedded n-type and p-type porous silicon photodetectors were investigated, including dark and illuminated current–voltage characteristics, responsivity, external quantum efficiency, and specific detectivity. The responsivity of n-BaTiO3-embedded p-PSi and n-BaTiO3- embedded n-PSi was 0.44 and 0.12 A/W at 350 nm, respectively. Energy band diagrams under illumination conditions were constructed for n-BaTiO3-embedded p-PSi and n-BaTiO3- embedded n-PSi heterojunction photodetector.

本研究将激光烧蚀法制备的BaTiO3纳米颗粒嵌入电化学刻蚀法制备的p型和n型多孔硅(PSi)中。结构分析证实,合成的BaTiO3纳米颗粒呈结晶状,呈四边形结构。在室温下,BaTiO3纳米颗粒的直接光能隙为3.75 eV。扫描电镜显示,合成的BaTiO3纳米颗粒呈球形,平均粒径为34 nm。研究了嵌入batio3的n型和p型多孔硅光电探测器的光电性能,包括黑暗和照明电流电压特性、响应率、外量子效率和比探测率。在350 nm处,n-BaTiO3包埋p-PSi和n-BaTiO3包埋n-PSi的响应度分别为0.44和0.12 A/W。构建了n-BaTiO3包埋p-PSi和n-BaTiO3包埋n-PSi异质结光电探测器在光照条件下的能带图。
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引用次数: 0
Performance Study of Cadmium Telluride Solar Cell Featured with Silicon Thin Film Made by Sol-Gel Route 溶胶-凝胶法制备硅薄膜碲化镉太阳能电池的性能研究
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-12 DOI: 10.1007/s12633-024-03179-2
R. Venkatesh, Pradeep Kumar Singh, Muhammad Nasir Bashir, Joon Sang Lee, K. K. Yaswanth, Manzoore Elahi M. Soudagar, Ismail Hossain, Sami Al Obaid, Sulaiman Ali Alharbi

Solar energy has emerged as a promising renewable solution, with cadmium telluride (CdTe) solar cells leading the way due to their high efficiency and cost-effectiveness. This study examines the performance of CdTe solar cells enhanced by incorporating silicon thin films (20-40 nm) fabricated via a sol-gel process. The resulting solar cells underwent comprehensive performance evaluations, including electrical, optical, and structural analyses. The structural behaviour of silicon/CdTe solar cells was investigated using Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) techniques. SEM provides a high-resolution analysis of surface morphology with a fine grain of silicon, leads to enhanced functional performance, and XRD confirm the crystalline phase of CdTe and silicon. The study measured and compared key performance metrics, including electrical conductivity, hall coefficient, Tanu plot performance, I-V measurement, rectification ratio, and quantum efficiency with conventional CdTe solar cells. With nano SiC thin layer of 40 nm influences better electrical conductivity (10x10-2 S/cm), limited hall coefficient (0.0044 cm3/C), with optimum bang gap of 1.45 eV, increased rectification ratio (2 at 0.8 V), and optimum I-V ranges of 1-2. The quantum efficiency of the CdTe: Si solar cell reached 89%, and the rectification ratio increased gradually due to the influence of Si doping. The experimental results show a notable enhancement in photoelectric conversion efficiency with silicon thin films, underscoring their promising potential for future photovoltaic applications.

太阳能已经成为一种有前途的可再生能源解决方案,其中碲化镉(CdTe)太阳能电池因其高效率和成本效益而处于领先地位。本研究考察了通过溶胶-凝胶工艺制备的硅薄膜(20-40 nm)增强的CdTe太阳能电池的性能。所得到的太阳能电池进行了全面的性能评估,包括电学、光学和结构分析。利用扫描电镜(SEM)和x射线衍射(XRD)技术研究了硅/碲化镉太阳能电池的结构行为。SEM提供了具有细晶硅的高分辨率表面形貌分析,导致功能性能增强,XRD证实了CdTe和硅的晶相。该研究测量并比较了传统CdTe太阳能电池的关键性能指标,包括电导率、霍尔系数、Tanu图性能、I-V测量、整流比和量子效率。40 nm的纳米SiC薄层具有更好的电导率(10 × 10-2 S/cm),限制霍尔系数(0.0044 cm3/C),最佳bang gap为1.45 eV,提高整流比(0.8 V时2),最佳I-V范围为1-2。CdTe: Si太阳能电池的量子效率达到89%,且由于Si掺杂的影响,整流比逐渐提高。实验结果表明,硅薄膜的光电转换效率显著提高,强调了其在未来光伏应用中的巨大潜力。
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引用次数: 0
Isolation and Characterization of a Novel Silicate-Solubilizing Bacterial Strain Staphylococcus ureilyticus MV-1 Associated with Grape Wine 一株与葡萄酒有关的新型硅酸盐增溶性尿毒葡萄球菌MV-1的分离与鉴定
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-11 DOI: 10.1007/s12633-024-03187-2
Vinod Nandre, Mithil Mahale, Rajendra Patil, Deepak Kasote, Sushmita Sarnikar, Anamika Kumari, Kisan Kodam, Mohan Kulkarni, Suresh B. Waghmode

This research aimed to isolate Staphylococcus ureilyticus MV-1 bacteria and evaluate their potential for soil application. These bacteria can solubilize silicate minerals up to 25 µg/mL in the first 10 h utilizing magnesium trisilicate as a silica source. This encourages plant development by generating plant hormones such as indole acetic acid (IAA). The IAA production peaked at 14 µg/mL after 48 h without further supplementation. Further, significant levels of micro- and macro-nutrient uptake were also recorded using Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) in grapevine after treating it with MV-1 indicating the availability of nutrients to plants for proper growth and functioning. The results state that MV-1 had a synergistic effect on plant growth and soil fertility.

本研究旨在分离解尿葡萄球菌MV-1,并评价其在土壤中的应用潜力。这些细菌利用三硅酸镁作为硅源,在前10小时内可溶解高达25µg/mL的硅酸盐矿物。这通过产生植物激素如吲哚乙酸(IAA)来促进植物发育。在没有进一步补充的情况下,48 h后IAA产量最高,为14µg/mL。此外,利用电感耦合等离子体光学发射光谱法(ICP-OES)也记录了用MV-1处理后葡萄的微量和大量营养吸收水平,这表明植物正常生长和功能所需的营养可用性。结果表明,MV-1对植物生长和土壤肥力具有协同效应。
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引用次数: 0
Synthesis, Structural, Dielectric, Optical, and Luminescence Studies of Lanthanum- and Yttrium- Manganese Silicates 镧和钇锰硅酸盐的合成、结构、介电、光学和发光研究
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-09 DOI: 10.1007/s12633-024-03193-4
Shiv K. Barbar

Apatite structured polycrystalline samples of rare earth manganese silicates, La4MnSi3O13 and Y4MnSi3O13, were synthesized via ceramic route, and their crystal structure, morphology, dielectric, optical, and luminescence characteristics were thoroughly examined. Rietveld refinements of the X-ray diffraction data and Raman results confirm that both the compounds are formed in single phase, and crystallize in hexagonal crystal symmetry. Scanning electron microscopy micrographs show the crystalline nature of the synthesized silicates, and the sizes of the grains are found in submicron range. The dielectric constant and tanδ show systematic variation with frequency. The low values of tanδ of these ceramic samples suggest the potential use in energy storage capacitive devices. The calculated wide band gap energies (4.3 eV and 4.03 eV) of these new compositions of silicate apatites make them useful for better absorption and emission of UV light for applications in solid state lighting devices. The photoluminescence characteristics of La4MnSi3O13 and Y4MnSi3O13 samples make them beautiful sources of green-yellow and green emissions, respectively.

采用陶瓷法制备了稀土硅酸盐多晶La4MnSi3O13和Y4MnSi3O13,并对其晶体结构、形貌、介电特性、光学特性和发光特性进行了研究。x射线衍射数据和拉曼结果的Rietveld改进证实了这两种化合物都是在单相中形成的,并以六方晶体对称的方式结晶。扫描电镜显微图显示合成硅酸盐的结晶性质,晶粒尺寸在亚微米范围内。介电常数和tanδ随频率有系统的变化。这些陶瓷样品的tanδ值较低,表明其在储能电容器件中的潜在应用。计算出的这些新型硅酸盐磷灰石组分的宽带隙能(4.3 eV和4.03 eV)使它们能够更好地吸收和发射紫外光,用于固态照明器件。La4MnSi3O13和Y4MnSi3O13样品的光致发光特性使它们分别成为绿黄色和绿色发光的美丽光源。
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引用次数: 0
Temperature Entropies of Silicate Network 硅酸盐网络的温度熵
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-07 DOI: 10.1007/s12633-024-03191-6
Zaryab Hussain, Ahmed Sayed M. Metwally, Zohib Akram, Samia Chehbi Gamoura

In this paper, we compute the first Zagreb temperature entropy, the second Zagreb temperature entropy, the sum-connectivity temperature entropy, and the product-connectivity temperature entropy of the silicate network. We find the relationship between the temperature entropies of the silicate network. We also analyze and compare the different regressions of these entropies and try to find the best one for each case.

在本文中,我们计算了硅酸盐网络的第一萨格勒布温度熵、第二萨格勒布温度熵、和-连通性温度熵和产物-连通性温度熵。我们发现了硅酸盐网络的温度熵之间的关系。我们还分析和比较了这些熵的不同回归,并试图找到适合每种情况的最佳回归。
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引用次数: 0
Development and Characterization of Silicon Nitride and Synthesized Graphene Oxide Reinforced Cu/GO/xSi3N4 Composites 氮化硅和合成氧化石墨烯增强Cu/GO/xSi3N4复合材料的研制与表征
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-06 DOI: 10.1007/s12633-024-03192-5
N. Kalidas, P. M. Gopal, V. Kavimani

The intent of the proposed research is to analyze the effect of Silicon Nitride (Si3N4) and synthesized Graphene Oxide (GO) on the physical, wear and corrosive characteristics of the copper. The copper hybrid composite having constant GO and varying weight % of Si3N4 is prepared through powder metallurgy. The GO is synthesized from graphite through modified hummers method and its formation is confirmed through SEM, XRD, Raman and FTIR analysis. The SEM analysis of developed Cu/0.3rGO/xSi3N4 confirms the presence of reinforcements and density analysis confirms the reduction density. The microhardness is found increasing with GO and Si3N4 addition. Wear rate of the copper found decreases with reinforcement addition due to self-lubricating nature of GO and hardness of Si3N4 ceramic. Worn surface confirms the transition of severe wear to mild wear with Si3N4 addition. The corrosion results suggest that the composite reinforced with 0.3% GO and 15% Si3N4 yielded better corrosion resistance than the other developed composites. Corroded surface analysis confirms the reduction in surface damage with reinforcement addition that shows increase in corrosion resistance of copper with hybrid reinforcement addition.

本研究的目的是分析氮化硅(Si3N4)和合成氧化石墨烯(GO)对铜的物理、磨损和腐蚀特性的影响。采用粉末冶金法制备了氧化石墨烯恒定、氮化硅含量变化的铜杂化复合材料。以石墨为原料,采用改进hummers法合成了氧化石墨烯,并通过SEM、XRD、Raman和FTIR分析证实了氧化石墨烯的形成。Cu/0.3rGO/xSi3N4的SEM分析证实了增强的存在,密度分析证实了还原密度的存在。显微硬度随氧化石墨烯和氮化硅的加入而增加。由于氧化石墨烯的自润滑特性和Si3N4陶瓷的硬度,铜的磨损率随着增强剂的加入而降低。随着氮化硅的加入,磨损表面由重度磨损向轻度磨损转变。腐蚀结果表明,添加0.3%氧化石墨烯和15%氮化硅的复合材料具有较好的耐蚀性。腐蚀表面分析证实,加筋可以减少表面损伤,表明混合加筋可以提高铜的耐蚀性。
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引用次数: 0
Nanocages (Si72, Cl-Si72, Br-Si72, C72, Cl-C72, Br-C72, B36P36, Cl-B36P36, Br-B36P36) as Anodes in Mg-ion Battery and Na-ion Battery 纳米笼(Si72、Cl-Si72、Br-Si72、C72、Cl-C72、Br-C72、B36P36、Cl-B36P36、Br-B36P36)作为镁离子电池和钠离子电池阳极
IF 2.8 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2024-11-05 DOI: 10.1007/s12633-024-03188-1
Jing Ni, Jianfeng Xu, Zhenwei Wang, Donghui Wei

Here, the capacities of Si72, C72 and B36P36 nanocages as electrodes various types of batteries are investigated by theoretical models. The effects of water and halogen adoption on capacities of Si72, C72 and B36P36 nanocages as electrodes various types of batteries are examined. Results have shown that the Vcell values of Si72, Cl-Si72, Br-Si72, C72, Cl-C72, Br-C72, B36P36, Cl-B36P36, Br-B36P36 nanocages in Mg-ion batteries are 3.58, 3.65, 3.68, 3.81, 3.88, 3.91, 4.05, 4.12 and 4.16 V, respectively. The Ctheory values of Si72, Cl-Si72, Br-Si72, C72, Cl-C72, Br-C72, B36P36, Cl-B36P36, Br-B36P36 nanocages as anodes in Mg-ion batteries are 896, 910, 919, 953, 969, 978, 1013, 1031 and 1040 mAhg−1, respectively. The BP nanocages and their halogen doped derivatives have higher Vcell and Ctheory than corresponding other studied nanocages. Finally, the Cl-B36P36 and Br-B36P36 nanocages are suggested as new materials as anodes in batteries with acceptable performances.

本文通过理论模型研究了Si72、C72和B36P36纳米笼作为不同类型电池电极的容量。考察了水和卤素用量对Si72、C72和B36P36纳米笼作为不同类型电池电极容量的影响。结果表明,镁离子电池中Si72、Cl-Si72、Br-Si72、C72、Cl-C72、Br-C72、B36P36、Cl-B36P36、Br-B36P36纳米笼的Vcell值分别为3.58、3.65、3.68、3.81、3.88、3.91、4.05、4.12和4.16 V。Si72、Cl-Si72、Br-Si72、C72、Cl-C72、Br-C72、B36P36、Cl-B36P36、Br-B36P36纳米笼作为镁离子电池阳极的Ctheory值分别为896、910、919、953,969、978、1013、1031和1040 mAhg−1。BP纳米笼及其卤素掺杂衍生物比其他研究的纳米笼具有更高的Vcell和c理论。最后,提出了Cl-B36P36和Br-B36P36纳米笼作为电池阳极的新材料,性能可接受。
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